O1-methyl O3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-(p-tolyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(4-methylphenyl)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(p-tolyl)ethyl] ester O1-methyl ester Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO7/c1-11-3-5-12(6-4-11)16(20)10-26-18(22)14-7-13(17(21)25-2)8-15(9-14)19(23)24/h3-9H,10H2,1-2H3